2,4,4'-tribromodiphenyl ether

Synonyms: "PBDE 28", "2,4,4'-TriBDE"

Source: 2,4-dibromo-1-(4-bromophenoxy)benzene is classified as a food contaminant.

Identifiers:

IUPAC Name: 2,4-dibromo-1-(4-bromophenoxy)benzene
CAS Number: 41318-75-6
PubChem ID: 12110098
InChiKey: UPNBETHEXPIWQX-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₇Br₃O
Molecular Weight: 406.895

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 16

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Meerts IATM, Letcher RJ, Hoving S, Marsh G, Bergman Å,, Lemmen JG, van der Burg B, Brouwer A. 2001. In vitro estrogenicity of polybrominated diphenyl ethers, hydroxylated PBDEs, and polybrominated bisphenol A compounds. Environ Health Perspect 109(4):399-407, DOI: 10.2307/3454900.